SCHEMBL29541125

SCHEMBL29541125

N#Cc1cncc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.54
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CDC42BPB Q9Y5S2 1/20 0.45
GRM4 Q14833 1/20 0.45
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
JAK3 P52333 3/20 0.40
GRM5 P41594 2/20 0.40
NEK1 Q96PY6 1/20 0.39
NUDT1 P36639 2/20 0.38
RIPK1 Q13546 1/20 0.37
MAP4K4 O95819 1/20 0.36
AKT2 P31751 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL100236 1.00 PRKCI (0.54) PRKCIROCK2ROCK1CDC42BPBGRM4
Trifluoroacetic Acid SCHEMBL4093375 0.91 PRKCI (0.45) PRKCIROCK2ROCK1CDC42BPBGRM4
SCHEMBL98775 0.87 GRM5 (0.56) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL100683 0.86 PRKCI (0.58) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29540824 0.80 PRKCI (0.62) PRKCIROCK2ROCK1CDC42BPBGRM4
SCHEMBL102315 0.80 PRKCI (0.62) PRKCIROCK2ROCK1CDC42BPBGRM4
Trifluoroacetic Acid SCHEMBL4088293 0.79 GRM5 (0.47) PRKCIGRM4GRM5NEK1JAK2
SCHEMBL20873093 0.78 PRKCI (0.62) PRKCIROCK1GRM4AURKAAURKB
Trifluoroacetic Acid SCHEMBL4086835 0.78 PRKCI (0.48) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29541092 0.78 PRKCI (0.65) PRKCIROCK1GRM4AURKAAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885ROCK2 1189/4885ROCK1 1782/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885ROCK2 1189/4885ROCK1 1782/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885ROCK2 1189/4885ROCK1 1782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.